1-(2-ethyl-5-methylpyrazol-3-yl)butan-1-ol

C10H18N2O — CID 105083085

IUPAC1-(2-ethyl-5-methylpyrazol-3-yl)butan-1-ol
SMILESCCCC(O)c1cc(C)nn1CC
InChIInChI=1S/C10H18N2O/c1-4-6-10(13)9-7-8(3)11-12(9)5-2/h7,10,13H,4-6H2,1-3H3
InChIKeyPGFCDGHXFVYFHL-UHFFFAOYSA-N
MW182.27 g/mol
LogP2.04
Rot. Bonds4

About 1-(2-ethyl-5-methylpyrazol-3-yl)butan-1-ol

1-(2-ethyl-5-methylpyrazol-3-yl)butan-1-ol (PubChem CID 105083085) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 1-(2-ethyl-5-methylpyrazol-3-yl)butan-1-ol.

Molecular Properties

Compound Name1-(2-ethyl-5-methylpyrazol-3-yl)butan-1-ol
PubChem CID105083085
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name1-(2-ethyl-5-methylpyrazol-3-yl)butan-1-ol
SMILESCCCC(O)c1cc(C)nn1CC
InChIInChI=1S/C10H18N2O/c1-4-6-10(13)9-7-8(3)11-12(9)5-2/h7,10,13H,4-6H2,1-3H3
InChIKeyPGFCDGHXFVYFHL-UHFFFAOYSA-N
XLogP2.04
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 105122915
1-(2-ethyl-5-methylpyrazol-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 105091094
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CID 103454836
1-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]propan-1-ol
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2-(5-bromo-2-fluorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanol
CID 105086539
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CID 105118256

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-5-methylpyrazol-3-yl)butan-1-ol?
The IUPAC name of 1-(2-ethyl-5-methylpyrazol-3-yl)butan-1-ol (CID 105083085) is 1-(2-ethyl-5-methylpyrazol-3-yl)butan-1-ol.
What is the SMILES notation for 1-(2-ethyl-5-methylpyrazol-3-yl)butan-1-ol?
The canonical SMILES for 1-(2-ethyl-5-methylpyrazol-3-yl)butan-1-ol is CCCC(O)c1cc(C)nn1CC.
What is the InChIKey of 1-(2-ethyl-5-methylpyrazol-3-yl)butan-1-ol?
The InChIKey is PGFCDGHXFVYFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-4-6-10(13)9-7-8(3)11-12(9)5-2/h7,10,13H,4-6H2,1-3H3.
What are the key properties of 1-(2-ethyl-5-methylpyrazol-3-yl)butan-1-ol?
1-(2-ethyl-5-methylpyrazol-3-yl)butan-1-ol has a molecular weight of 182.27 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-5-methylpyrazol-3-yl)butan-1-ol is sourced from PubChem (CID 105083085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).